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1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one

View entire compound with spectra: 1 MS (GC)

1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one
SpectraBase Compound ID GWKPeRe1Rxe
InChI InChI=1S/C23H20O/c1-4-20(3)13-7-6-8-17-23(24)18-12-11-16-22-15-10-9-14-21(5-2)19-22/h1-2,6-18H,19H2,3H3/b7-6+,16-11+,17-8+,18-12+,20-13+
InChIKey OGJQHIMYYLQPLX-NVXRNXLBSA-N
Mol Weight 312.41 g/mol
Molecular Formula C23H20O
Exact Mass 312.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENRzLoQVuX4
Name 1-(6-Ethynyl-1,3,5-cycloheptatrienyl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one
Alternate Name(s) (1E,3E,6E,8E,10E)-1-(6-ethynyl-1,3,5-cycloheptatrien-1-yl)-11-methyl-1,3,6,8,10-tridecapentaen-12-yn-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20O
InChI InChI=1S/C23H20O/c1-4-20(3)13-7-6-8-17-23(24)18-12-11-16-22-15-10-9-14-21(5-2)19-22/h1-2,6-18H,19H2,3H3/b7-6+,16-11+,17-8+,18-12+,20-13+
InChIKey OGJQHIMYYLQPLX-NVXRNXLBSA-N
Molecular Weight 312.412 g/mol
SMILES C(#C)C1=CC=CC=C(C1)\C=C\C=C\C(\C=C\C=C\C=C\(C#C)C)=O
SPLASH splash10-014i-9001000000-dfa42f4e01bd788fb107
Source of Spectrum AJ-68-3533-54
Wiley ID 773487